1-[(4-bromophenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(4-bromophenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-benzyloxyphenyl)-(4-bromophenyl)methyl]-1,4-diazepane CAS Name: 1-[(4-bromophenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-bromophenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-benzoxyphenyl)-(4-bromophenyl)methyl]-1,4-diazepane Formula: C25H27BrN2O MolecularWeight: 451.39868

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=C(C=C2)Br)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(C=C2)Br)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27BrN2O/c26-23-12-10-21(11-13-23)25(28-16-5-14-27-15-17-28)22-8-4-9-24(18-22)29-19-20-6-2-1-3-7-20/h1-4,6-13,18,25,27H,5,14-17,19H2